SCHEMBL5866151

SCHEMBL5866151

N/N=C\c1ccc(CCOc2cccc(N(CCO)S(=O)(=O)c3ccccc3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 5/20 0.41
▸ KEAP1 Q14145 2/20 0.41
▸ NFE2L2 Q16236 2/20 0.41
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA4 P22748 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ NR1I2 O75469 1/20 0.38
▸ RORC P51449 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38
▸ KMT2A Q03164 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ MMP1 P03956 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP13 P45452 1/20 0.36
▸ ADAM17 P78536 1/20 0.36
▸ ESR1 P03372 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5866159 1.00 F2 (0.41) F2KEAP1NFE2L2CA12CA1
SCHEMBL5866107 0.91 KEAP1 (0.52) F2KEAP1NFE2L2MAPTPOLB
SCHEMBL5866111 0.84 F2 (0.41) F2KEAP1NFE2L2CA12CA1
SCHEMBL5866155 0.84 F2 (0.52) F2KEAP1NFE2L2CA12CA1
SCHEMBL5866135 0.83 NR3C1 (0.46) F2KEAP1NFE2L2CA12CA1
SCHEMBL7420301 0.80 F2 (0.39) F2KEAP1NFE2L2CA12CA1
SCHEMBL5866154 0.79 F2 (0.38) F2KEAP1NFE2L2CA12CA1
SCHEMBL5866113 0.78 F2 (0.37) F2KEAP1NFE2L2MAPTNR1I2
SCHEMBL5866108 0.78 F2 (0.37) F2KEAP1NFE2L2MAPTNR1I2
SCHEMBL5866105 0.74 KEAP1 (0.52) F2KEAP1NFE2L2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US claimed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP claimed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 — — US claimed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — US claimed
US-7074820-B2 Amidino derivatives and their use as thrombin inhibitors ASTRAZENECA AB (SE) 2006-07-11 — — US disclosed
EP-0917528-B1 NEW AMIDINO DERIVATIVES AND THEIR USE AS THROMBIN INHIBITORS ASTRAZENECA AB (SE) 2002-09-18 — — EP disclosed
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors ANTONSSON THOMAS (SE) 2002-04-04 — — US disclosed
US-6221898-B1 ANTICOAGULANTS ASTRA AKTIEBOLAG (SE) 2001-04-24 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020040043-A1 Amidino derivatives and their use as thrombin inhibitors SERPINC1, F2, SERPINE1 F2 2/4885KEAP1 4086/4885NFE2L2 4578/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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